1-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-2-ol

C15H16N2O — CID 71922627

IUPAC1-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
SMILESOC1Cc2ccccc2C1NCc1cccnc1
InChIInChI=1S/C15H16N2O/c18-14-8-12-5-1-2-6-13(12)15(14)17-10-11-4-3-7-16-9-11/h1-7,9,14-15,17-18H,8,10H2
InChIKeyPSPZZTWRMQXWQB-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.83
Rot. Bonds3

About 1-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-2-ol

1-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-2-ol (PubChem CID 71922627) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name1-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
PubChem CID71922627
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
SMILESOC1Cc2ccccc2C1NCc1cccnc1
InChIInChI=1S/C15H16N2O/c18-14-8-12-5-1-2-6-13(12)15(14)17-10-11-4-3-7-16-9-11/h1-7,9,14-15,17-18H,8,10H2
InChIKeyPSPZZTWRMQXWQB-UHFFFAOYSA-N
XLogP1.83
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9H-Indeno(2,1-b)pyridin-9-ol
CID 3062120
Benzyl alcohol, alpha-(1-((3-pyridylmethyl)amino)ethyl)-, hydrochloride
CID 26189
Benzyl alcohol, alpha-(1-((4-pyridylmethyl)amino)ethyl)-, hydrochloride
CID 26191
(2R)-2-phenyl-2-[[(1R)-1-pyridin-2-ylbut-3-enyl]amino]ethanol
CID 11277194
(2S)-2-phenyl-2-[[(1S)-1-pyridin-2-ylbut-3-enyl]amino]ethanol
CID 44423550
2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile
CID 51091671
(1R,2R)-1-(2-pyrazin-2-ylethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56896045
(1R,2R)-1-(2-pyridin-2-ylethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56913814
(1R,3aR,4R,5S,7aR)-3a,7a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-5-(pyridin-3-ylmethylamino)-2,3,4,5,6,7-hexahydro-1H-inden-4-ol
CID 71582963
(1R,2S)-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-2-ol
CID 71865389
1-[[[1-(Pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol
CID 84595396
(1S,2R)-1-[(3-fluoro-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol
CID 118740642

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 1-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-2-ol (CID 71922627) is 1-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 1-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 1-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-2-ol is OC1Cc2ccccc2C1NCc1cccnc1.
What is the InChIKey of 1-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-2-ol?
The InChIKey is PSPZZTWRMQXWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-14-8-12-5-1-2-6-13(12)15(14)17-10-11-4-3-7-16-9-11/h1-7,9,14-15,17-18H,8,10H2.
What are the key properties of 1-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-2-ol?
1-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-2-ol has a molecular weight of 240.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 71922627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).